(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone

C12H18N2O — CID 114972401

IUPAC(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
SMILESCCn1nccc1C(=O)C1(C)CCCC1
InChIInChI=1S/C12H18N2O/c1-3-14-10(6-9-13-14)11(15)12(2)7-4-5-8-12/h6,9H,3-5,7-8H2,1-2H3
InChIKeyDLVKGFIQNQZLCL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.67
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone

(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone (PubChem CID 114972401) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
PubChem CID114972401
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
SMILESCCn1nccc1C(=O)C1(C)CCCC1
InChIInChI=1S/C12H18N2O/c1-3-14-10(6-9-13-14)11(15)12(2)7-4-5-8-12/h6,9H,3-5,7-8H2,1-2H3
InChIKeyDLVKGFIQNQZLCL-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
CID 116567524
[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
CID 79074193
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
CID 116750647
(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608096
2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 116578933
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
CID 104610116
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060145
(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 116580459
3-ethyl-1-(2-ethylpyrazol-3-yl)pent-2-en-1-one
CID 103458810

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone (CID 114972401) is (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone is CCn1nccc1C(=O)C1(C)CCCC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone?
The InChIKey is DLVKGFIQNQZLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14-10(6-9-13-14)11(15)12(2)7-4-5-8-12/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone?
(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone has a molecular weight of 206.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 114972401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).